1-[2-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]phenoxy]-3-piperidin-1-ylpropan-2-ol

C20H29N3O3 — CID 72852685

IUPAC1-[2-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]phenoxy]-3-piperidin-1-ylpropan-2-ol
SMILESCN(Cc1ccon1)Cc1ccccc1OCC(O)CN1CCCCC1
InChIInChI=1S/C20H29N3O3/c1-22(14-18-9-12-26-21-18)13-17-7-3-4-8-20(17)25-16-19(24)15-23-10-5-2-6-11-23/h3-4,7-9,12,19,24H,2,5-6,10-11,13-16H2,1H3
InChIKeyVMCKPOSJALNTHH-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.53
Rot. Bonds9

About 1-[2-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]phenoxy]-3-piperidin-1-ylpropan-2-ol

1-[2-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]phenoxy]-3-piperidin-1-ylpropan-2-ol (PubChem CID 72852685) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-[2-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]phenoxy]-3-piperidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[2-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]phenoxy]-3-piperidin-1-ylpropan-2-ol
PubChem CID72852685
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name1-[2-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]phenoxy]-3-piperidin-1-ylpropan-2-ol
SMILESCN(Cc1ccon1)Cc1ccccc1OCC(O)CN1CCCCC1
InChIInChI=1S/C20H29N3O3/c1-22(14-18-9-12-26-21-18)13-17-7-3-4-8-20(17)25-16-19(24)15-23-10-5-2-6-11-23/h3-4,7-9,12,19,24H,2,5-6,10-11,13-16H2,1H3
InChIKeyVMCKPOSJALNTHH-UHFFFAOYSA-N
XLogP2.53
TPSA61.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]phenoxy]-3-piperidin-1-ylpropan-2-ol?
The IUPAC name of 1-[2-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]phenoxy]-3-piperidin-1-ylpropan-2-ol (CID 72852685) is 1-[2-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]phenoxy]-3-piperidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-[2-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]phenoxy]-3-piperidin-1-ylpropan-2-ol?
The canonical SMILES for 1-[2-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]phenoxy]-3-piperidin-1-ylpropan-2-ol is CN(Cc1ccon1)Cc1ccccc1OCC(O)CN1CCCCC1.
What is the InChIKey of 1-[2-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]phenoxy]-3-piperidin-1-ylpropan-2-ol?
The InChIKey is VMCKPOSJALNTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-22(14-18-9-12-26-21-18)13-17-7-3-4-8-20(17)25-16-19(24)15-23-10-5-2-6-11-23/h3-4,7-9,12,19,24H,2,5-6,10-11,13-16H2,1H3.
What are the key properties of 1-[2-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]phenoxy]-3-piperidin-1-ylpropan-2-ol?
1-[2-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]phenoxy]-3-piperidin-1-ylpropan-2-ol has a molecular weight of 359.47 g/mol, XLogP of 2.53, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]phenoxy]-3-piperidin-1-ylpropan-2-ol is sourced from PubChem (CID 72852685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).